HHD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | CZ | sing | 1.34Å | 1.25Å | |
| CZ | O4 | doub | 1.21Å | 1.25Å | |
| CZ | CE | sing | 1.51Å | 1.52Å | |
| CE | CD | sing | 1.53Å | 1.53Å | |
| CD | CG | sing | 1.53Å | 1.53Å | |
| CG | CB | sing | 1.53Å | 1.53Å | |
| CB | O3 | sing | 1.43Å | 1.43Å | |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | O2 | doub | 1.21Å | 1.25Å | |
| C | O1 | sing | 1.34Å | 1.25Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| CE | HE1C | sing | 1.09Å | 1.10Å | |
| CE | HE2C | sing | 1.09Å | 1.10Å | |
| CD | HD1C | sing | 1.09Å | 1.10Å | |
| CD | HD2C | sing | 1.09Å | 1.10Å | |
| CG | HG1C | sing | 1.09Å | 1.10Å | |
| CG | HG2C | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| CA | HA1C | sing | 1.09Å | 1.10Å | |
| CA | HA2C | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | CZ | O4 | 120.4° | 120.0° |
| O5 | CZ | CE | 119.2° | 120.0° |
| CZ | O5 | H5 | 109.5° | 117.0° |
| O4 | CZ | CE | 120.4° | 120.0° |
| CZ | CE | CD | 110.9° | 109.5° |
| CZ | CE | HE1C | 109.1° | 109.5° |
| CZ | CE | HE2C | 109.1° | 109.5° |
| CE | CD | CG | 113.1° | 109.5° |
| CD | CE | HE1C | 109.1° | 109.5° |
| CD | CE | HE2C | 109.1° | 109.5° |
| CE | CD | HD1C | 108.6° | 109.5° |
| CE | CD | HD2C | 108.5° | 109.4° |
| CD | CG | CB | 111.6° | 109.5° |
| CG | CD | HD1C | 108.6° | 109.5° |
| CG | CD | HD2C | 108.6° | 109.5° |
| CD | CG | HG1C | 108.9° | 109.5° |
| CD | CG | HG2C | 108.9° | 109.5° |
| CG | CB | O3 | 108.3° | 109.4° |
| CG | CB | CA | 112.2° | 109.5° |
| CB | CG | HG1C | 108.9° | 109.4° |
| CB | CG | HG2C | 108.9° | 109.5° |
| CG | CB | HB | 108.3° | 109.5° |
| O3 | CB | CA | 110.4° | 109.5° |
| O3 | CB | HB | 109.5° | 109.4° |
| CB | O3 | H3 | 109.5° | 114.0° |
| CB | CA | C | 113.3° | 109.5° |
| CA | CB | HB | 108.1° | 109.5° |
| CB | CA | HA1C | 108.5° | 109.5° |
| CB | CA | HA2C | 108.5° | 109.5° |
| CA | C | O2 | 118.9° | 120.0° |
| CA | C | O1 | 120.3° | 120.0° |
| C | CA | HA1C | 108.5° | 109.5° |
| C | CA | HA2C | 108.5° | 109.4° |
| O2 | C | O1 | 120.9° | 120.0° |
| C | O1 | H1 | 109.5° | 117.0° |
| HE1C | CE | HE2C | 109.5° | 109.5° |
| HD1C | CD | HD2C | 109.5° | 109.5° |
| HG1C | CG | HG2C | 109.5° | 109.5° |
| HA1C | CA | HA2C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | CZ | O4 | CE | 178.8° | 180.0° |
| O5 | CZ | CE | CD | 167.5° | 180.0° |
| O5 | CZ | CE | HE1C | 72.3° | 60.0° |
| O5 | CZ | CE | HE2C | 47.3° | 60.0° |
| O4 | CZ | CE | CD | 13.7° | 0.0° |
| O4 | CZ | O5 | H5 | 0.0° | 0.0° |
| O4 | CZ | CE | HE1C | 106.5° | 120.0° |
| O4 | CZ | CE | HE2C | 134.0° | 120.0° |
| CZ | CE | CD | HE1C | 120.2° | 120.0° |
| CZ | CE | CD | HE2C | 120.2° | 120.0° |
| CZ | CE | CD | CG | 150.3° | 180.0° |
| CE | CZ | O5 | H5 | 178.8° | 180.0° |
| CZ | CE | HE1C | HE2C | 119.3° | 120.0° |
| CZ | CE | CD | HD1C | 89.1° | 60.0° |
| CZ | CE | CD | HD2C | 29.8° | 60.0° |
| CE | CD | CG | HD1C | 120.5° | 120.0° |
| CE | CD | CG | HD2C | 120.5° | 119.9° |
| CE | CD | CG | CB | 112.4° | 180.0° |
| CD | CE | HE1C | HE2C | 119.3° | 120.0° |
| CE | CD | HD1C | HD2C | 118.3° | 120.0° |
| CE | CD | CG | HG1C | 7.9° | 60.0° |
| CE | CD | CG | HG2C | 127.3° | 60.0° |
| CD | CG | CB | HG1C | 120.3° | 120.0° |
| CD | CG | CB | HG2C | 120.3° | 120.0° |
| CD | CG | CB | O3 | 70.6° | 65.0° |
| CD | CG | CB | CA | 167.3° | 175.0° |
| CG | CD | CE | HE1C | 30.1° | 60.0° |
| CG | CD | CE | HE2C | 89.5° | 60.0° |
| CG | CD | HD1C | HD2C | 118.3° | 120.0° |
| CD | CG | HG1C | HG2C | 119.0° | 120.0° |
| CD | CG | CB | HB | 48.0° | 54.9° |
| CG | CB | O3 | CA | 123.2° | 120.0° |
| CG | CB | O3 | HB | 117.8° | 120.0° |
| CG | CB | CA | HB | 119.3° | 120.0° |
| CG | CB | CA | C | 101.5° | 175.1° |
| CB | CG | CD | HD1C | 127.0° | 60.0° |
| CB | CG | CD | HD2C | 8.1° | 60.0° |
| CB | CG | HG1C | HG2C | 119.0° | 120.0° |
| CG | CB | O3 | H3 | 180.0° | 60.1° |
| CG | CB | CA | HA1C | 19.1° | 55.0° |
| CG | CB | CA | HA2C | 138.0° | 65.0° |
| O3 | CB | CA | HB | 119.8° | 120.0° |
| O3 | CB | CA | C | 137.7° | 65.0° |
| O3 | CB | CG | HG1C | 169.1° | 175.0° |
| O3 | CB | CG | HG2C | 49.7° | 55.1° |
| O3 | CB | CA | HA1C | 101.8° | 175.0° |
| O3 | CB | CA | HA2C | 17.1° | 55.0° |
| CB | CA | C | HA1C | 120.5° | 120.0° |
| CB | CA | C | HA2C | 120.6° | 120.0° |
| CB | CA | C | O2 | 86.8° | 0.1° |
| CB | CA | C | O1 | 93.9° | 180.0° |
| CA | CB | CG | HG1C | 47.0° | 55.0° |
| CA | CB | CG | HG2C | 72.4° | 65.0° |
| CA | CB | O3 | H3 | 56.8° | 59.9° |
| CB | CA | HA1C | HA2C | 118.3° | 120.0° |
| CA | C | O2 | O1 | 179.3° | 179.9° |
| C | CA | CB | HB | 17.9° | 55.0° |
| C | CA | HA1C | HA2C | 118.3° | 120.0° |
| CA | C | O1 | H1 | 179.3° | 180.0° |
| O2 | C | CA | HA1C | 152.7° | 120.0° |
| O2 | C | CA | HA2C | 33.8° | 120.0° |
| O2 | C | O1 | H1 | 0.0° | 0.1° |
| O1 | C | CA | HA1C | 26.7° | 59.9° |
| O1 | C | CA | HA2C | 145.5° | 60.1° |
| HE1C | CE | CD | HD1C | 150.7° | 180.0° |
| HE1C | CE | CD | HD2C | 90.4° | 60.0° |
| HE2C | CE | CD | HD1C | 31.1° | 60.0° |
| HE2C | CE | CD | HD2C | 150.0° | 180.0° |
| HD1C | CD | CG | HG1C | 112.7° | 180.0° |
| HD1C | CD | CG | HG2C | 6.7° | 60.0° |
| HD2C | CD | CG | HG1C | 128.4° | 59.9° |
| HD2C | CD | CG | HG2C | 112.2° | 179.9° |
| HG1C | CG | CB | HB | 72.3° | 65.1° |
| HG2C | CG | CB | HB | 168.3° | 175.0° |
| HB | CB | O3 | H3 | 62.2° | 180.0° |
| HB | CB | CA | HA1C | 138.4° | 65.0° |
| HB | CB | CA | HA2C | 102.7° | 174.9° |
